N-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine

C12H18N2S2 — CID 79951354

IUPACN-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine
SMILESCC1SCCCC1(NC1CC1)c1nccs1
InChIInChI=1S/C12H18N2S2/c1-9-12(5-2-7-15-9,14-10-3-4-10)11-13-6-8-16-11/h6,8-10,14H,2-5,7H2,1H3
InChIKeyPBLBRPUGANEPKH-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.01
Rot. Bonds3

About N-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine

N-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine (PubChem CID 79951354) has the molecular formula C12H18N2S2 and a molecular weight of 254.42 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine
PubChem CID79951354
Molecular FormulaC12H18N2S2
Molecular Weight254.42 g/mol
Exact Mass254.09
IUPAC NameN-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine
SMILESCC1SCCCC1(NC1CC1)c1nccs1
InChIInChI=1S/C12H18N2S2/c1-9-12(5-2-7-15-9,14-10-3-4-10)11-13-6-8-16-11/h6,8-10,14H,2-5,7H2,1H3
InChIKeyPBLBRPUGANEPKH-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine?
The IUPAC name of N-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine (CID 79951354) is N-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine.
What is the SMILES notation for N-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine?
The canonical SMILES for N-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine is CC1SCCCC1(NC1CC1)c1nccs1.
What is the InChIKey of N-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine?
The InChIKey is PBLBRPUGANEPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S2/c1-9-12(5-2-7-15-9,14-10-3-4-10)11-13-6-8-16-11/h6,8-10,14H,2-5,7H2,1H3.
What are the key properties of N-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine?
N-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine has a molecular weight of 254.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine is sourced from PubChem (CID 79951354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).